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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50012189   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21653
PNG
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12
Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115846
PNG
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((R)-5-m...)
Show SMILES COc1ccc2[C@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115843
PNG
((2S)-2-[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115842
PNG
(2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12
Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)
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1.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115850
PNG
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((R)-5-m...)
Show SMILES COc1ccc2[C@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115837
PNG
(2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N
Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30)
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3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115840
PNG
((S)-2-[(S)-2-(5-Bromo-indan-1-yl)-3-mercapto-propi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115839
PNG
(2-[2-(5-Hydroxy-indan-1-yl)-3-mercapto-propionylam...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(O)ccc12
Show InChI InChI=1S/C23H24N2O4S/c26-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)25-21(23(28)29)10-14-11-24-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,24,26,30H,5,7,10,12H2,(H,25,27)(H,28,29)
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4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115840
PNG
((S)-2-[(S)-2-(5-Bromo-indan-1-yl)-3-mercapto-propi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115850
PNG
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((R)-5-m...)
Show SMILES COc1ccc2[C@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115845
PNG
(2-[2-(5-Bromo-indan-1-yl)-3-mercapto-propionylamin...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)
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5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115841
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methoxy-indan...)
Show SMILES COc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)
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5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115849
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methylsulfany...)
Show SMILES CSc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)
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6n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115839
PNG
(2-[2-(5-Hydroxy-indan-1-yl)-3-mercapto-propionylam...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(O)ccc12
Show InChI InChI=1S/C23H24N2O4S/c26-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)25-21(23(28)29)10-14-11-24-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,24,26,30H,5,7,10,12H2,(H,25,27)(H,28,29)
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7n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115836
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(4-methoxy-indan...)
Show SMILES COc1cccc2C(CCc12)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-22-8-4-6-16-17(9-10-18(16)22)19(13-31)23(27)26-21(24(28)29)11-14-12-25-20-7-3-2-5-15(14)20/h2-8,12,17,19,21,25,31H,9-11,13H2,1H3,(H,26,27)(H,28,29)
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8n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115838
PNG
(2-[2-(5-Ethoxy-indan-1-yl)-3-mercapto-propionylami...)
Show SMILES CCOc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H28N2O4S/c1-2-31-17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(28)27-23(25(29)30)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,2,7,9,12,14H2,1H3,(H,27,28)(H,29,30)
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8n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115851
PNG
((S)-2-[(S)-2-((S)-5-Bromo-indan-1-yl)-3-mercapto-p...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21+/m1/s1
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9.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50115846
PNG
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((R)-5-m...)
Show SMILES COc1ccc2[C@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1
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10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115841
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methoxy-indan...)
Show SMILES COc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)
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11n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115835
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(6-methoxy-indan...)
Show SMILES COc1ccc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2c1
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-8-6-14-7-9-18(19(14)11-16)20(13-31)23(27)26-22(24(28)29)10-15-12-25-21-5-3-2-4-17(15)21/h2-6,8,11-12,18,20,22,25,31H,7,9-10,13H2,1H3,(H,26,27)(H,28,29)
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11n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115837
PNG
(2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N
Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30)
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11n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115845
PNG
(2-[2-(5-Bromo-indan-1-yl)-3-mercapto-propionylamin...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)
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12n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115847
PNG
((2S)-2-[(2R)-2-[(1S)-5-bromo-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21+/m1/s1
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13n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115849
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methylsulfany...)
Show SMILES CSc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)
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14n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115834
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-phenyl-indan-...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C29H28N2O3S/c32-28(31-27(29(33)34)15-21-16-30-26-9-5-4-8-23(21)26)25(17-35)24-13-11-20-14-19(10-12-22(20)24)18-6-2-1-3-7-18/h1-10,12,14,16,24-25,27,30,35H,11,13,15,17H2,(H,31,32)(H,33,34)
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14n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115852
PNG
(2-[2-(5-Dimethylamino-indan-1-yl)-3-mercapto-propi...)
Show SMILES CN(C)c1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H29N3O3S/c1-28(2)17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(29)27-23(25(30)31)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,7,9,12,14H2,1-2H3,(H,27,29)(H,30,31)
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15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115848
PNG
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...)
Show SMILES COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115836
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(4-methoxy-indan...)
Show SMILES COc1cccc2C(CCc12)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-22-8-4-6-16-17(9-10-18(16)22)19(13-31)23(27)26-21(24(28)29)11-14-12-25-20-7-3-2-5-15(14)20/h2-8,12,17,19,21,25,31H,9-11,13H2,1H3,(H,26,27)(H,28,29)
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16n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115838
PNG
(2-[2-(5-Ethoxy-indan-1-yl)-3-mercapto-propionylami...)
Show SMILES CCOc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H28N2O4S/c1-2-31-17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(28)27-23(25(29)30)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,2,7,9,12,14H2,1H3,(H,27,28)(H,29,30)
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18n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50115843
PNG
((2S)-2-[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21-/m0/s1
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18n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115842
PNG
(2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12
Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)
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20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50115841
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methoxy-indan...)
Show SMILES COc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)
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22n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115846
PNG
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((R)-5-m...)
Show SMILES COc1ccc2[C@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1
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24n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM21653
PNG
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12
Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1
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26n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115834
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-phenyl-indan-...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C29H28N2O3S/c32-28(31-27(29(33)34)15-21-16-30-26-9-5-4-8-23(21)26)25(17-35)24-13-11-20-14-19(10-12-22(20)24)18-6-2-1-3-7-18/h1-10,12,14,16,24-25,27,30,35H,11,13,15,17H2,(H,31,32)(H,33,34)
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27n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50115840
PNG
((S)-2-[(S)-2-(5-Bromo-indan-1-yl)-3-mercapto-propi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21-/m0/s1
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28n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115844
PNG
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((S)-5-m...)
Show SMILES COc1ccc2[C@@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22+/m1/s1
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30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115848
PNG
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...)
Show SMILES COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1
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30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50115845
PNG
(2-[2-(5-Bromo-indan-1-yl)-3-mercapto-propionylamin...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)
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31n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115835
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(6-methoxy-indan...)
Show SMILES COc1ccc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2c1
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-8-6-14-7-9-18(19(14)11-16)20(13-31)23(27)26-22(24(28)29)10-15-12-25-21-5-3-2-4-17(15)21/h2-6,8,11-12,18,20,22,25,31H,7,9-10,13H2,1H3,(H,26,27)(H,28,29)
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35n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50115849
PNG
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methylsulfany...)
Show SMILES CSc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)
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35n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM21653
PNG
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12
Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1
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43n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115852
PNG
(2-[2-(5-Dimethylamino-indan-1-yl)-3-mercapto-propi...)
Show SMILES CN(C)c1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H29N3O3S/c1-28(2)17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(29)27-23(25(30)31)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,7,9,12,14H2,1-2H3,(H,27,29)(H,30,31)
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44n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50115838
PNG
(2-[2-(5-Ethoxy-indan-1-yl)-3-mercapto-propionylami...)
Show SMILES CCOc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H28N2O4S/c1-2-31-17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(28)27-23(25(29)30)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,2,7,9,12,14H2,1H3,(H,27,28)(H,29,30)
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47n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115843
PNG
((2S)-2-[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21-/m0/s1
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55n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115851
PNG
((S)-2-[(S)-2-((S)-5-Bromo-indan-1-yl)-3-mercapto-p...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21+/m1/s1
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58n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115847
PNG
((2S)-2-[(2R)-2-[(1S)-5-bromo-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2cc(Br)ccc12
Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21+/m1/s1
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66n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115844
PNG
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((S)-5-m...)
Show SMILES COc1ccc2[C@@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22+/m1/s1
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70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115833
PNG
(2-[2-(5,6-Dimethoxy-indan-1-yl)-3-mercapto-propion...)
Show SMILES COc1cc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2cc1OC
Show InChI InChI=1S/C25H28N2O5S/c1-31-22-10-14-7-8-17(18(14)11-23(22)32-2)19(13-33)24(28)27-21(25(29)30)9-15-12-26-20-6-4-3-5-16(15)20/h3-6,10-12,17,19,21,26,33H,7-9,13H2,1-2H3,(H,27,28)(H,29,30)
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78n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50115833
PNG
(2-[2-(5,6-Dimethoxy-indan-1-yl)-3-mercapto-propion...)
Show SMILES COc1cc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2cc1OC
Show InChI InChI=1S/C25H28N2O5S/c1-31-22-10-14-7-8-17(18(14)11-23(22)32-2)19(13-33)24(28)27-21(25(29)30)9-15-12-26-20-6-4-3-5-16(15)20/h3-6,10-12,17,19,21,26,33H,7-9,13H2,1-2H3,(H,27,28)(H,29,30)
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78n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme.


Bioorg Med Chem Lett 12: 2001-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00248-2
BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
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